Magnesium in PDB 6i4g: Crystal Structure of Plasmodium Falciparum Actin I (H74Q) in the Mg-K- Atp State

The structure of Crystal Structure of Plasmodium Falciparum Actin I (H74Q) in the Mg-K- Atp State, PDB code: 6i4g was solved by E.-P.Kumpula, A.J.Lopez, L.Tajedin, H.Han, I.Kursula, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.80 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.610, 110.620, 138.830, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 25.7

The structure of Crystal Structure of Plasmodium Falciparum Actin I (H74Q) in the Mg-K- Atp State also contains other interesting chemical elements:

Potassium	(K)	2 atoms
Calcium	(Ca)	4 atoms

The binding sites of Magnesium atom in the Crystal Structure of Plasmodium Falciparum Actin I (H74Q) in the Mg-K- Atp State (pdb code 6i4g). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Plasmodium Falciparum Actin I (H74Q) in the Mg-K- Atp State, PDB code: 6i4g:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Plasmodium Falciparum Actin I (H74Q) in the Mg-K- Atp State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Plasmodium Falciparum Actin I (H74Q) in the Mg-K- Atp State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:29.2 occ:1.00 O1G A:ATP401 1.9 28.8 1.0 O1B A:ATP401 2.1 30.6 1.0 O A:HOH550 2.2 26.4 1.0 O A:HOH525 2.2 23.4 1.0 O A:HOH510 2.2 23.0 1.0 O A:HOH577 2.2 25.1 1.0 PB A:ATP401 3.3 26.5 1.0 PG A:ATP401 3.4 28.2 1.0 HZ3 A:LYS19 3.5 58.1 1.0 O A:HOH514 3.8 37.8 1.0 O A:HOH528 3.9 44.1 1.0 O3B A:ATP401 3.9 26.1 1.0 O A:HOH517 4.0 33.7 1.0 O1A A:ATP401 4.0 24.3 1.0 O3G A:ATP401 4.1 28.1 1.0 HA2 A:GLY14 4.1 33.9 1.0 K A:K403 4.1 37.8 0.9 HA3 A:GLY157 4.2 39.5 1.0 OD2 A:ASP12 4.3 29.2 1.0 HG21 A:VAL340 4.3 30.8 1.0 OE1 A:GLN138 4.4 35.0 1.0 NZ A:LYS19 4.4 48.4 1.0 O3A A:ATP401 4.4 25.1 1.0 HA3 A:GLY14 4.4 33.9 1.0 O2B A:ATP401 4.5 26.8 1.0 PA A:ATP401 4.5 27.1 1.0 O2G A:ATP401 4.5 30.6 1.0 OD2 A:ASP155 4.6 39.6 0.8 OD1 A:ASP12 4.6 31.5 1.0 OD1 A:ASP155 4.6 43.0 0.8 HZ1 A:LYS19 4.6 58.1 1.0 HZ2 A:LYS19 4.8 58.1 1.0 CA A:GLY14 4.8 28.2 1.0 CD A:GLN138 4.8 37.6 1.0 CG A:ASP12 4.9 30.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Plasmodium Falciparum Actin I (H74Q) in the Mg-K- Atp State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Plasmodium Falciparum Actin I (H74Q) in the Mg-K- Atp State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:22.3 occ:1.00 O2G B:ATP401 1.8 24.1 1.0 O B:HOH513 2.1 17.8 1.0 O2B B:ATP401 2.1 23.6 1.0 O B:HOH519 2.1 24.1 1.0 O B:HOH545 2.1 22.0 1.0 O B:HOH518 2.2 20.4 1.0 PB B:ATP401 3.3 22.8 1.0 PG B:ATP401 3.3 23.6 1.0 HZ2 B:LYS19 3.6 59.4 1.0 O3B B:ATP401 3.9 26.6 1.0 K B:K403 4.0 23.1 0.7 O3G B:ATP401 4.0 24.6 1.0 HA2 B:GLY14 4.0 43.6 1.0 HA3 B:GLY157 4.1 28.6 1.0 O2A B:ATP401 4.1 24.7 1.0 O B:HOH527 4.2 80.4 1.0 O3A B:ATP401 4.2 20.3 1.0 HG21 B:VAL340 4.3 30.3 1.0 OE1 B:GLN138 4.3 30.8 1.0 OD2 B:ASP12 4.4 35.0 1.0 HA3 B:GLY14 4.4 43.6 1.0 O1G B:ATP401 4.4 24.1 1.0 PA B:ATP401 4.5 24.9 1.0 NZ B:LYS19 4.5 49.5 1.0 O1B B:ATP401 4.5 24.9 1.0 O B:HOH577 4.5 38.0 1.0 OD2 B:ASP155 4.6 62.6 1.0 OD1 B:ASP12 4.6 32.6 1.0 CA B:GLY14 4.7 36.3 1.0 CD B:GLN138 4.7 27.1 1.0 HZ3 B:LYS19 4.8 59.4 1.0 OD1 B:ASP155 4.8 65.6 1.0 HZ1 B:LYS19 4.9 59.4 1.0 CG B:ASP12 4.9 32.6 1.0 CA B:GLY157 5.0 23.8 1.0 HG2 B:GLN138 5.0 31.8 1.0

E.P.Kumpula, A.J.Lopez, L.Tajedin, H.Han, I.Kursula. Atomic View Into Plasmodium Actin Polymerization, Atp Hydrolysis, and Fragmentation. Plos Biol. V. 17 00315 2019.
ISSN: ESSN 1545-7885
PubMed: 31199804
DOI: 10.1371/JOURNAL.PBIO.3000315